4-amino-7-(cis-5'-O-[4-(4-cyanophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]-2'-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine | 879493-34-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 吡咯并嘧啶核苷和核苷酸
• 英文名称: 4-amino-7-(cis-5'-O-[4-(4-cyanophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]-2'-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine
• 英文别名: 4-[(2R,4S)-2-[[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl]benzonitrile；4-[(2R,4S)-2-[[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl]benzonitrile
• CAS: 879493-34-2
• 化学式: C₂₂H₂₄N₅O₇P
• 分子量: 501.436
• InChiKey: RUQQTSZGNWAITB-HDKVDMKXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  175
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES
  申请人：Merck & Co., Inc.

  公开号：EP1915053A2

  公开（公告）日：2008-04-30
• Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives
  申请人：Erion Mark D.

  公开号：US20090118223A1

  公开（公告）日：2009-05-07

  Novel 2′-C-methyl nucleoside 5′-monophosphate and 4′-C-methyl nucleoside 5′-monophosphate derivatives, stereoisomers, and pharmaceutically acceptable salts or prodrugs thereof, their preparation, and their uses for the treatment of hepatitis C viral infection are described.
• Novel Nucleoside Derivatives
  申请人：Reddy K. Raja

  公开号：US20090131370A1

  公开（公告）日：2009-05-21

  Compounds of Formulae I-XVI, stereoisomers, and pharmaceutically acceptable salts or prodrugs thereof, their preparation, and their uses for the treatment of viral diseases including hepatitis C viral infection, cancer, diabetes, and other diseases are described: formula (I).
• [EN] NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE 2'-C-MÉTHYL- ET DE 4'-C-MÉTHYL-NUCLÉOSIDES
  申请人：MERCK & CO INC

  公开号：WO2007022073A2

  公开（公告）日：2007-02-22

  [EN] Novel 2'-C-methyl nucleoside 5 '-monophosphate and 4'-C-methyl nucleoside 5'- monophosphate derivatives, stereoisomers, and pharmaceutically acceptable salts or prodrugs thereof, their preparation, and their uses for the treatment of hepatitis C viral infection are described.
  [FR] La présente invention décrit de nouveaux dérivés de 2'-C-méthyl-nucléosides 5'-monophosphates et de 4'-C-méthyl-nucléosides 5'-monophosphates, leurs stéréoisomères et leurs sels ou promédicaments de qualité pharmaceutique, leur synthèse et leur emploi dans le traitement d'une infection par le virus de l'hépatite C.